If the last iteration should be added, and if it should be marked symbolically (with
lowercase letter l) or with the iteration number. Not every iteration level is able
to identify the last iteration early enough to be able to output. When this keyword
is activated all iteration levels are checked for the last iteration step.
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controls part of the filename for output. use __STD_OUT__ (exactly as written here)
for the screen or standard logger. use filename to obtain projectname-filename.
use ./filename to get filename. A middle name (if present), iteration numbers and
extension are always added to the filename. if you want to avoid it use =filename,
in this case the filename is always exactly as typed. Please note that this can lead
to clashes of filenames.
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Specifies the format of the output file when IONS+CENTERS is enabled.
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This keyword cannot be repeated
and it expects
precisely one keyword.

Default value:
XMOL

List of valid keywords:

ATOMIC

Write only the coordinates X,Y,Z without element symbols to a formatted file
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DCD

Write the coordinates (no element labels) and the cell information to a binary file
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DCD_ALIGNED_CELL

Like DCD, but the dumped coordinates refer to an aligned cell following the common
convention: the cell vector a is aligned with the x axis and the cell
vector b lies in the xy plane. This allows the reconstruction of scaled
coordinates from the DCD data only.
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